Mg2VN2
Alexandria ALEXAlex-ID: agm005506775 · Space group: C2/m (#12)
Basic Information
Composition
Energy & Stability
Electronic Structure
Additional Information
AB2C2_245_spg12
V2N Mg3N2 VN
2023-03-20 11:29:58.873699
Citation
The crystal structure and related material properties of this entry were obtained from the Alexandria database (Alex-ID: agm005506775).
Th. Cavignac, J. Schmidt, P.-P. De Breuck, A. Loew, T. F. T. Cerqueira, H.-C. Wang, A. Bochkarev, Y. Lysogorskiy, A. H. Romero, R. Drautz, S. Botti and M. A. L. Marques. AI-Driven expansion and application of the Alexandria database. J. Phys. Mater. 9, 025014 (2026). https://doi.org/10.1088/2515-7639/ae6620
@article{Cavignac2026Alexandria,
author = {Cavignac, Th{\'e}o and Schmidt, Jonathan and De Breuck, Pierre-Paul and Loew, Antoine
and Cerqueira, Tiago F. T. and Wang, Hai-Chen and Bochkarev, Anton
and Lysogorskiy, Yury and Romero, Aldo H. and Drautz, Ralf and Botti, Silvana
and Marques, Miguel A. L.},
title = {{AI}-Driven expansion and application of the {A}lexandria database},
journal = {Journal of Physics: Materials},
year = {2026},
volume = {9},
number = {2},
pages = {025014},
doi = {10.1088/2515-7639/ae6620},
url = {https://doi.org/10.1088/2515-7639/ae6620}
}
3D Crystal Structure Rendering
Loading 3D structure…
# CIF generated by HEAS from Alexandria entry agm005506775
data_agm005506775
_cell_length_a 5.39689
_cell_length_b 5.39689
_cell_length_c 6.01336
_cell_angle_alpha 68.64204
_cell_angle_beta 68.64204
_cell_angle_gamma 49.10300
_cell_volume 121.31652
_symmetry_space_group_name_H-M 'P 1'
_symmetry_Int_Tables_number 1
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
Mg1 Mg 0.67197 0.67197 0.89422 1.00000
Mg2 Mg 0.32803 0.32803 0.10578 1.00000
Mg3 Mg 0.01350 0.01350 0.74819 1.00000
Mg4 Mg 0.98650 0.98650 0.25181 1.00000
V1 V 0.34990 0.34990 0.61887 1.00000
V2 V 0.65010 0.65010 0.38113 1.00000
N1 N 0.17792 0.17792 0.89117 1.00000
N2 N 0.82208 0.82208 0.10883 1.00000
N3 N 0.49760 0.49760 0.27081 1.00000
N4 N 0.50240 0.50240 0.72919 1.00000
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